Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a194b7a5fa95bfe9afb2a127a8c3fa26",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 54.14,
"b": 54.14,
"c": 114.03,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 13980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 1351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.497
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 1385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations_unique": 1440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [50.000,4.090],
"number_observations_unique": 1538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}